2-[3-(2-aminobutyl)phenoxy]-N-methyl-N-propan-2-ylacetamide

C16H26N2O2 — CID 60907872

IUPAC2-[3-(2-aminobutyl)phenoxy]-N-methyl-N-propan-2-ylacetamide
SMILESCCC(N)Cc1cccc(OCC(=O)N(C)C(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-5-14(17)9-13-7-6-8-15(10-13)20-11-16(19)18(4)12(2)3/h6-8,10,12,14H,5,9,11,17H2,1-4H3
InChIKeyJBEZTCKVNJMXAA-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.21
Rot. Bonds7

About 2-[3-(2-aminobutyl)phenoxy]-N-methyl-N-propan-2-ylacetamide

2-[3-(2-aminobutyl)phenoxy]-N-methyl-N-propan-2-ylacetamide (PubChem CID 60907872) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[3-(2-aminobutyl)phenoxy]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-(2-aminobutyl)phenoxy]-N-methyl-N-propan-2-ylacetamide
PubChem CID60907872
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[3-(2-aminobutyl)phenoxy]-N-methyl-N-propan-2-ylacetamide
SMILESCCC(N)Cc1cccc(OCC(=O)N(C)C(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-5-14(17)9-13-7-6-8-15(10-13)20-11-16(19)18(4)12(2)3/h6-8,10,12,14H,5,9,11,17H2,1-4H3
InChIKeyJBEZTCKVNJMXAA-UHFFFAOYSA-N
XLogP2.21
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[3-(2-aminobutyl)phenoxy]acetate
CID 54929271
methyl 3-[3-(2-aminobutyl)phenoxy]propanoate
CID 63947689
3-[3-(2-aminobutyl)phenoxy]-N-methylpropanamide
CID 62325770
2-[3-(2-aminobutyl)phenoxy]-1-piperidin-1-ylethanone
CID 60906554
1-[3-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]butan-2-amine
CID 106439644
methyl 3-[3-(2-aminobutyl)phenoxy]-2,2-dimethylpropanoate
CID 79620949
3-[3-(2-aminobutyl)phenoxy]-2,2-dimethylpropanoic acid
CID 79621115
2-[4-(2-aminobutyl)phenoxy]-N,N-dimethylacetamide
CID 54930931
1-[3-(3-ethylsulfonylpropoxy)phenyl]butan-2-amine
CID 65095474
N-[1-(3-ethoxyphenyl)propan-2-yl]-N-methylacetamide
CID 547381
2-(3-ethylphenoxy)-N-methylacetohydrazide
CID 116820496
1-[3-(3-methylbut-2-enoxy)phenyl]butan-2-amine
CID 54929170

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminobutyl)phenoxy]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[3-(2-aminobutyl)phenoxy]-N-methyl-N-propan-2-ylacetamide (CID 60907872) is 2-[3-(2-aminobutyl)phenoxy]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[3-(2-aminobutyl)phenoxy]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[3-(2-aminobutyl)phenoxy]-N-methyl-N-propan-2-ylacetamide is CCC(N)Cc1cccc(OCC(=O)N(C)C(C)C)c1.
What is the InChIKey of 2-[3-(2-aminobutyl)phenoxy]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is JBEZTCKVNJMXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-14(17)9-13-7-6-8-15(10-13)20-11-16(19)18(4)12(2)3/h6-8,10,12,14H,5,9,11,17H2,1-4H3.
What are the key properties of 2-[3-(2-aminobutyl)phenoxy]-N-methyl-N-propan-2-ylacetamide?
2-[3-(2-aminobutyl)phenoxy]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 278.40 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminobutyl)phenoxy]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 60907872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).